CID 21251

5185-71-7

Structural Information

Molecular Formula
C10H14AsCl2NO3
SMILES
C1=CC(=CC=C1N(CCCl)CCCl)[As](=O)(O)O
InChI
InChI=1S/C10H14AsCl2NO3/c12-5-7-14(8-6-13)10-3-1-9(2-4-10)11(15,16)17/h1-4H,5-8H2,(H2,15,16,17)
InChIKey
RXMOZLCWMOBJCM-UHFFFAOYSA-N
Compound name
[4-[bis(2-chloroethyl)amino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.95667 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.96395 168.3
[M+Na]+ 363.94589 175.4
[M-H]- 339.94939 169.6
[M+NH4]+ 358.99049 184.2
[M+K]+ 379.91983 170.2
[M+H-H2O]+ 323.95393 163.6
[M+HCOO]- 385.95487 179.8
[M+CH3COO]- 399.97052 197.7
[M+Na-2H]- 361.93134 171.8
[M]+ 340.95612 172.4
[M]- 340.95722 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.